TL;DR: 1-(3,4-dimethoxyphenyl)-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]methanimine (CAS 126318-03-4) is a chemical compound with molecular formula C24H31NO3 and molecular weight 381.2304 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,4-dimethoxyphenyl)-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]methanimine
Also Known As: 1-(3,4-dimethoxyphenyl)-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]methanimine, N-[(3,4-Dimethoxyphenyl)methylene]tetrahydro-2,2-dimethyl-4-phenyl-2H-pyran-4-ethanamine, (E)-N-(3,4-dimethoxybenzylidene)-2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)ethanamine, N-[(E)-(3,4-dimethoxyphenyl)methylidene]-2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)ethanamine
| Molecular Formula | C24H31NO3 |
| Molecular Weight | 381.2304 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 40.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 381.2304 Da |
| Heavy Atoms | 28 |
| Complexity | 500.0 |
| SMILES | CC1(CC(CCO1)(CCN=CC2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3)C |
| InChIKey | KTHVRAMBASNPCB-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that 1-(3,4-dimethoxyphenyl)-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]methanimine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.1 Ų, 1-(3,4-dimethoxyphenyl)-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]methanimine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-dimethoxyphenyl)-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]methanimine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(3,4-dimethoxyphenyl)-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]methanimine is 126318-03-4.
The molecular formula of 1-(3,4-dimethoxyphenyl)-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]methanimine is C24H31NO3.
The molecular weight of 1-(3,4-dimethoxyphenyl)-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]methanimine is 381.2304 g/mol.
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